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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL116074
CHEMBL116074
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H30F3N3O3

Additional synonyms for CHEMBL116074 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cccc(C2=C(C)N(Cc3c(F)cccc3F)C(=O)N(C[C@H](Cc4ccccc4)N(C) ...
Download SMILES
Standard InChI InChI=1S/C30H30F3N3O3/c1-19-27(22-12-8-15-26(39-4)28(22)33)2 ...
Download InChI
Standard InChI Key AMCFOVGLNPCZBV-NRFANRHFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL116074

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
537.6 537.2239 4.63 9 56.47 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 1 6 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.78 6.09 4.7 4 39 0.31

Structural Alerts

There are no structural alerts for CHEMBL116074

Compound Cross References

ChemSpider ChemSpider:AMCFOVGLNPCZBV-NRFANRHFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL116074



BindingDB 50149256
PubChem 11387100
PubChem: Thomson Pharma 16481154
ZINC ZINC000027099021

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/AMCFOVGLNPCZBV-NRFANRHFSA-N spacer
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